SCHEMBL5743136

SCHEMBL5743136

COc1cccc(C(=O)c2ncc(C=O)c3cc(OCc4ccccc4)c(OC)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.50
GFPT1 Q06210 1/20 0.47
ERN1 O75460 2/20 0.46
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRD5A2 P31213 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6107572 0.91 GFPT1 (0.51) VNN1GFPT1ERN1MAPK13MAPK12
SCHEMBL5744828 0.86 GAA (0.47) VNN1GFPT1MAPK13MAPK12MAPK11
SCHEMBL5743070 0.86 VNN1 (0.49) VNN1GFPT1MAPK13MAPK12MAPK11
SCHEMBL5744347 0.86 VNN1 (0.49) VNN1GFPT1MAPK13MAPK12MAPK11
SCHEMBL5742296 0.84 GFPT1 (0.45) VNN1GFPT1MAPK13MAPK12MAPK11
SCHEMBL5744846 0.83 GFPT1 (0.61) VNN1GFPT1ERN1MAPK13MAPK12
SCHEMBL5745797 0.82 ERN1 (0.46) ERN1MAPTHTTALDH1A1HPGD
SCHEMBL5745105 0.82 ERN1 (0.46) ERN1MAPTHTTALDH1A1HPGD
SCHEMBL5745167 0.81 GFPT1 (0.46) GFPT1ERN1KDM4EMAPTHTT
SCHEMBL5745922 0.81 PDE4B (0.49) GFPT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS VNN1 2430/4885GFPT1 1/4885ERN1 1253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.